6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one

C24H20FN7O2 — CID 155295516

IUPAC6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one
SMILESC=C1C=C(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5ccccn5)n4C(C)C3)c2)N=NC1=O
InChIInChI=1S/C24H20FN7O2/c1-14-9-17(27-30-23(14)33)10-16-6-7-19(25)18(11-16)24(34)31-12-15(2)32-21(13-31)28-29-22(32)20-5-3-4-8-26-20/h3-9,11,15H,1,10,12-13H2,2H3
InChIKeyZHCOXSNHJQSRNH-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.67
Rot. Bonds4

About 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one

6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one (PubChem CID 155295516) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one.

Molecular Properties

Compound Name6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one
PubChem CID155295516
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC Name6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one
SMILESC=C1C=C(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5ccccn5)n4C(C)C3)c2)N=NC1=O
InChIInChI=1S/C24H20FN7O2/c1-14-9-17(27-30-23(14)33)10-16-6-7-19(25)18(11-16)24(34)31-12-15(2)32-21(13-31)28-29-22(32)20-5-3-4-8-26-20/h3-9,11,15H,1,10,12-13H2,2H3
InChIKeyZHCOXSNHJQSRNH-UHFFFAOYSA-N
XLogP3.67
TPSA105.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one?
The IUPAC name of 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one (CID 155295516) is 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one.
What is the SMILES notation for 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one?
The canonical SMILES for 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one is C=C1C=C(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5ccccn5)n4C(C)C3)c2)N=NC1=O.
What is the InChIKey of 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one?
The InChIKey is ZHCOXSNHJQSRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2/c1-14-9-17(27-30-23(14)33)10-16-6-7-19(25)18(11-16)24(34)31-12-15(2)32-21(13-31)28-29-22(32)20-5-3-4-8-26-20/h3-9,11,15H,1,10,12-13H2,2H3.
What are the key properties of 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one?
6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one has a molecular weight of 457.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-fluoro-3-(5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-4-methylidenepyridazin-3-one is sourced from PubChem (CID 155295516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).